5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline

C18H15BrFN — CID 107591565

IUPAC5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline
SMILESCc1cc(F)c(Br)cc1NCc1ccc2ccccc2c1
InChIInChI=1S/C18H15BrFN/c1-12-8-17(20)16(19)10-18(12)21-11-13-6-7-14-4-2-3-5-15(14)9-13/h2-10,21H,11H2,1H3
InChIKeyJQRIRVGHBVGFKX-UHFFFAOYSA-N
MW344.23 g/mol
LogP5.66
Rot. Bonds3

About 5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline

5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline (PubChem CID 107591565) has the molecular formula C18H15BrFN and a molecular weight of 344.23 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline
PubChem CID107591565
Molecular FormulaC18H15BrFN
Molecular Weight344.23 g/mol
Exact Mass343.04
IUPAC Name5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline
SMILESCc1cc(F)c(Br)cc1NCc1ccc2ccccc2c1
InChIInChI=1S/C18H15BrFN/c1-12-8-17(20)16(19)10-18(12)21-11-13-6-7-14-4-2-3-5-15(14)9-13/h2-10,21H,11H2,1H3
InChIKeyJQRIRVGHBVGFKX-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.23
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107591833
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591449
5-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 107591598
3-bromo-4-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 104775821
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
5-bromo-4-fluoro-N-[(3-fluoro-4-nitrophenyl)methyl]-2-methylaniline
CID 107591900
5-bromo-4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 107591636
2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
CID 81262877
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079
4-[(5-bromo-4-fluoro-2-methylanilino)methyl]benzene-1,3-diol
CID 103271230
3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol
CID 107591256
4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 105403343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline?
The IUPAC name of 5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline (CID 107591565) is 5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline is Cc1cc(F)c(Br)cc1NCc1ccc2ccccc2c1.
What is the InChIKey of 5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline?
The InChIKey is JQRIRVGHBVGFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN/c1-12-8-17(20)16(19)10-18(12)21-11-13-6-7-14-4-2-3-5-15(14)9-13/h2-10,21H,11H2,1H3.
What are the key properties of 5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline?
5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline has a molecular weight of 344.23 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline is sourced from PubChem (CID 107591565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).